Vitas-M small molecule compound
2-phenylethyl 4-(4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK376646
SMILES Oc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCCc1ccccc1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C27H29NO4 MW 431.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO4/c1-17-23(26(31)32-14-13-18-7-5-4-6-8-18)24(19-9-11-20(29)12-10-19)25-21(28-17)15-27(2,3)16-22(25)30/h4-12,24,28-29H,13-16H2,1-3H3InChIKey
RHBLPISLRSGVMX-UHFFFAOYSA-NSynonyms
2phenylethyl4(4hydroxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2phenylethyl4(4hydroxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)O)C(=O)OCCC4=CC=CC=C4
InChI=1SC27H29NO4c11723(26(31)321413187546818)24(1991120(29)121019)2521(2817)1527(23)1622(25)30h412242829H1316H213H3
MFCD01193806
ZINC000019771117
ZINC000019771118
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